Speculative beam search with Medusa heads accelerates SMILES-to-SMILES transformers for multi-step retrosynthesis, solving 26-86% more molecules within time limits.
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Fast and scalable retrosynthetic planning with a transformer neural network and speculative beam search
Speculative beam search with Medusa heads accelerates SMILES-to-SMILES transformers for multi-step retrosynthesis, solving 26-86% more molecules within time limits.